2-[1-(4-butan-2-ylphenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-[1-(4-butan-2-ylphenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[1-(4-sec-butylphenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[[1-(4-butan-2-ylphenyl)ethylamino]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 2-[1-(4-butan-2-ylphenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[1-(4-sec-butylphenyl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C21H27NO3 MolecularWeight: 341.44398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C)NC(=O)C2C3CC(C2C(=O)O)C=C3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(C)NC(=O)C2C3CC(C2C(=O)O)C=C3

InChI

InChI=1S/C21H27NO3/c1-4-12(2)14-5-7-15(8-6-14)13(3)22-20(23)18-16-9-10-17(11-16)19(18)21(24)25/h5-10,12-13,16-19H,4,11H2,1-3H3,(H,22,23)(H,24,25)